[2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol

C12H14N4O — CID 113387821

IUPAC[2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol
SMILESCN(Cc1ccncc1)c1ncc(CO)cn1
InChIInChI=1S/C12H14N4O/c1-16(8-10-2-4-13-5-3-10)12-14-6-11(9-17)7-15-12/h2-7,17H,8-9H2,1H3
InChIKeyVAJSPQCLTNAXEM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.00
Rot. Bonds4

About [2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol

[2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol (PubChem CID 113387821) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is [2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol
PubChem CID113387821
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name[2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol
SMILESCN(Cc1ccncc1)c1ncc(CO)cn1
InChIInChI=1S/C12H14N4O/c1-16(8-10-2-4-13-5-3-10)12-14-6-11(9-17)7-15-12/h2-7,17H,8-9H2,1H3
InChIKeyVAJSPQCLTNAXEM-UHFFFAOYSA-N
XLogP1.00
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 107080360
[6-[methyl(pyridin-4-ylmethyl)amino]pyrazin-2-yl]methanol
CID 66467748
[4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol
CID 61255837
[6-[ethyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]methanol
CID 54948162
[2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol
CID 113387842
CID 174107142
CID 174107142
5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
CID 113388103
5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 63874581
4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 171691462
[3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol
CID 61255835
[2-chloro-6-[methyl(pyridin-4-ylmethyl)amino]phenyl]methanol
CID 43564416
[3-chloro-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]methanol
CID 114067411

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol?
The IUPAC name of [2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol (CID 113387821) is [2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol?
The canonical SMILES for [2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol is CN(Cc1ccncc1)c1ncc(CO)cn1.
What is the InChIKey of [2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol?
The InChIKey is VAJSPQCLTNAXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16(8-10-2-4-13-5-3-10)12-14-6-11(9-17)7-15-12/h2-7,17H,8-9H2,1H3.
What are the key properties of [2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol?
[2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol has a molecular weight of 230.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol is sourced from PubChem (CID 113387821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).